CID 54593062

2-ethylbutane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H13FO2S
SMILES
CCC(CC)CS(=O)(=O)F
InChI
InChI=1S/C6H13FO2S/c1-3-6(4-2)5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKey
NCUJMOAHSHSWCA-UHFFFAOYSA-N
Compound name
2-ethylbutane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06203 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06931 132.1
[M+Na]+ 191.05125 139.9
[M-H]- 167.05475 131.5
[M+NH4]+ 186.09585 153.2
[M+K]+ 207.02519 138.7
[M+H-H2O]+ 151.05929 126.9
[M+HCOO]- 213.06023 147.7
[M+CH3COO]- 227.07588 177.1
[M+Na-2H]- 189.03670 134.6
[M]+ 168.06148 134.7
[M]- 168.06258 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.